U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H32O3S
Molecular Weight 388.563
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7.ALPHA.-THIOMETHYLSPIRONOLACTONE

SMILES

[H][C@@]12CC[C@@]3(CCC(=O)O3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])[C@@H](CC5=CC(=O)CC[C@]45C)SC

InChI

InChIKey=FWRDLPQBEOKIRE-RJKHXGPOSA-N
InChI=1S/C23H32O3S/c1-21-8-4-15(24)12-14(21)13-18(27-3)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)26-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18+,20+,21-,22-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H32O3S
Molecular Weight 388.563
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:29:38 GMT 2023
Edited
by admin
on Sat Dec 16 09:29:38 GMT 2023
Record UNII
0YU66JY4WL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7.ALPHA.-THIOMETHYLSPIRONOLACTONE
Common Name English
7.ALPHA.-(THIOMETHYL)SPIRONOLACTONE
Common Name English
3-(3-OXO-7.ALPHA.-METHYLTHIO-17.BETA.-HYDROXY-4-ANDROSTEN-17.ALPHA.-YL)PROPIONIC ACID .GAMMA.-LACTONE
Common Name English
7.ALPHA.-(METHYLTHIO)SPIRONOLACTONE
Common Name English
7-DE(ACETYLTHIO)-7.ALPHA.-(METHYLTHIO)SPIRONOLACTONE
Common Name English
SPIRONOLACTONE METABOLITE M4
Common Name English
7-THIOMETHYLSPIROLACTONE
Common Name English
7.ALPHA.-(THIOMETHYL)SPIROLACTONE
Common Name English
SC-26519
Common Name English
(7R,8R,9S,10R,13S,14S,17R)-10,13-DIMETHYL-7-METHYLSULFANYL-SPIRO(2,6,7,8,9,11,12,14,15,16-DECAHYDRO-1H-CYCLOPENTA(A)PHENANTHRENE-17,5'-TETRAHYDROFURAN)-2',3-DIONE
Systematic Name English
Code System Code Type Description
FDA UNII
0YU66JY4WL
Created by admin on Sat Dec 16 09:29:38 GMT 2023 , Edited by admin on Sat Dec 16 09:29:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID80959567
Created by admin on Sat Dec 16 09:29:38 GMT 2023 , Edited by admin on Sat Dec 16 09:29:38 GMT 2023
PRIMARY
CAS
38753-77-4
Created by admin on Sat Dec 16 09:29:38 GMT 2023 , Edited by admin on Sat Dec 16 09:29:38 GMT 2023
PRIMARY
PUBCHEM
162325
Created by admin on Sat Dec 16 09:29:38 GMT 2023 , Edited by admin on Sat Dec 16 09:29:38 GMT 2023
PRIMARY
WIKIPEDIA
7α-Thiomethylspironolactone
Created by admin on Sat Dec 16 09:29:38 GMT 2023 , Edited by admin on Sat Dec 16 09:29:38 GMT 2023
PRIMARY
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
MAJOR
PLASMA